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CAS 59236-37-2 2-Amino-4-chlorobenzaldehyde molecular structure lightbox
CAS RN: 59236-37-2

2-Amino-4-chlorobenzaldehyde

  • Product code: SSC-167647
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 59236-37-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

59236-37-2 / 2-amino-4-chlorobenzaldehyde

Standard CAS: 59236-37-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59236-37-2
Multi CAS
No
Molecular Formula
C7H6CLNO
Molecular Weight
155.580000
Exact Mass
155.013792
InChI
InChI=1S/C7H6ClNO/c8-6-2-1-5(4-10)7(9)3-6/h1-4H,9H2
InChIKey
WVXCOXXJTWKDPJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.25
TPSA
43.09

LogP / Solubility

WLOGP
1.73
MLOGP
1.52
XLogP3
2.3
Consensus LogP
1.85
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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